mixtox-package: Curve Fitting and Mixture Toxicity Assessment
Description
Curve Fitting for monotonic(sigmoidal) & non-monotonic(J-shaped)
concentration-response data. Toxicity prediction of chemical mixtures using reference
models such as 'concentration addition' and 'independent action' (Backhaus, T., Faust,
M., Environmental Science and Technology. 2012, 46, 2564-2573. doi:10.1021/es2034125).Details
ll{
Package: mixtox
Type: Package
Version: 1.2
Date: 2015-11-30
License: GPL-2
}
(1) Curve fitting of concentration-response data using 13 monotonic(sigmoidal) and 6
non-monotonic(J-shaped) equations, statistics for goodness of fit , and calculation for
function-based and observation-based confidence intervals .
(2) Experimental design for mixture toxicity.
acr: arbitrary concentration ratio; eecr: equal effect concentration ratio;
udcr: uniform design concentration ratio.
(3) Mixture toxicity prediction using reference models such as concentration addition (CA),
independent action (IA), and generalized concentration addition (GCA).References
Dunnett, C. W. 1964. New Tables for Multiple Comparisons with a Control. Biometrics
30(3):482-491.
Hickernell, Fred J. 1996. A Generalized Discrepancy and Quadrature Error Bound. Mathematics of
Computation 67(211):299-322.
Howard, Gregory J., Jennifer J. Schlezinger, Mark E. Hahn, and Thomas F. Webster. 2010.
Generalized Concentration Addition Predicts Joint Effects of Aryl Hydrocarbon
Receptor Agonists with Partial Agonists and Competitive Antagonists.
Environmental Health Perspectives 118(5):666-672.
Scholze, M. et al. 2001. A General Best-Fit Method for Concentration-Response Curves and the
Estimation of Low-Effect Concentrations. Environmental Toxicology and Chemistry
20(2):448-457.
Wang, Yuan and Kai-Tai Fang. 1996. Uniform Design of Experiments with Mixtures. Science in China
Series A-Mathematics Physics Astronomy 39(3):264-275.
Backhaus, T., Faust, M., 2012. Predictive environmental risk assessment of chemical mixtures: A
conceptual framework. Environmental Science and Technology. 46, 2564-2573.
Zhu X-W, Liu S-S, Qin L-T, Chen F, Liu H-L. 2013. Modeling non-monotonic dose-response
relationships: Model evaluation and hormetic quantities exploration. Ecotoxicology and
Environmental Safety 89:130-136.
Di Veroli GY, Fornari C, Goldlust I, Mills G, Koh SB, Bramhall JL, et al. 2015. An automated
fitting procedure and software for dose-response curves with multiphasic features.
Scitific Report 5: 14701.